1-(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)-N-(2-methylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-azanyl-6-morpholin-4-yl-pyrimidin-4-yl)-N-(2-methylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-amino-6-morpholino-pyrimidin-4-yl)-N-(o-tolyl)piperidine-4-carboxamide CAS Name: 1-[2-amino-6-(4-morpholinyl)-4-pyrimidinyl]-N-(2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-amino-6-morpholino-pyrimidin-4-yl)-N-(o-tolyl)isonipecotamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=CC(=NC(=N3)N)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2CCN(CC2)C3=CC(=NC(=N3)N)N4CCOCC4

InChI

InChI=1S/C21H28N6O2/c1-15-4-2-3-5-17(15)23-20(28)16-6-8-26(9-7-16)18-14-19(25-21(22)24-18)27-10-12-29-13-11-27/h2-5,14,16H,6-13H2,1H3,(H,23,28)(H2,22,24,25)